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SMILES: Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CNCCO1

InChI Key: InChIKey=AXADUSOGIZGHSI-OAHLLOKOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267888   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267888
PNG
(4-{8-amino-3-[(2R)-4-(3-ethoxypropanoyl)morpholin-...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C23H19ClF3N7O2/c24-16-11-31-20(28)19-18(33-21(34(16)19)15-10-29-7-8-36-15)12-1-3-13(4-2-12)22(35)32-17-9-14(5-6-30-17)23(25,26)27/h1-6,9,11,15,29H,7-8,10H2,(H2,28,31)(H,30,32,35)/t15-/m1/s1
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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...

US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair